Basic information
- Standard SMILES
Nc1cc(N2CCNC(C(=O)O)C2)c(Cl)cc1[N+](=O)[O-]- InChIKey
RJOVAVRCPNJPGK-UHFFFAOYSA-N- Molecular formula
- C11H13ClN4O4
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.0625326
Names & identifiers
- Preferred name
- 5-(3-Carboxypiperazin-1-yl)-4-chloro-2-nitroaniline
- IUPAC
- 4-(5-amino-2-chloro-4-nitrophenyl)piperazine-2-carboxylic acid
Names & synonyms
SCHEMBL6492430RJOVAVRCPNJPGK-UHFFFAOYSA-N5-(3-Carboxypiperazin-1-yl)-4-chloro-2-nitroaniline
Database identifiers
- PubChem CID
- 22272964
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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